3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide

C15H23F2N5O3S — CID 174324847

IUPAC3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(C(F)F)C1
InChIInChI=1S/C15H23F2N5O3S/c1-25-10-12-7-21(14-3-2-5-18-19-14)6-4-13(12)20-26(23,24)22-8-11(9-22)15(16)17/h2-3,5,11-13,15,20H,4,6-10H2,1H3/t12-,13-/m0/s1
InChIKeyWWGOCAVQXOYTMD-STQMWFEESA-N
MW391.44 g/mol
LogP0.35
Rot. Bonds7

About 3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide

3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide (PubChem CID 174324847) has the molecular formula C15H23F2N5O3S and a molecular weight of 391.44 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
PubChem CID174324847
Molecular FormulaC15H23F2N5O3S
Molecular Weight391.44 g/mol
Exact Mass391.15
IUPAC Name3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(C(F)F)C1
InChIInChI=1S/C15H23F2N5O3S/c1-25-10-12-7-21(14-3-2-5-18-19-14)6-4-13(12)20-26(23,24)22-8-11(9-22)15(16)17/h2-3,5,11-13,15,20H,4,6-10H2,1H3/t12-,13-/m0/s1
InChIKeyWWGOCAVQXOYTMD-STQMWFEESA-N
XLogP0.35
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide (CID 174324847) is 3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide is COC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
The InChIKey is WWGOCAVQXOYTMD-STQMWFEESA-N. The full InChI is InChI=1S/C15H23F2N5O3S/c1-25-10-12-7-21(14-3-2-5-18-19-14)6-4-13(12)20-26(23,24)22-8-11(9-22)15(16)17/h2-3,5,11-13,15,20H,4,6-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of 3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide has a molecular weight of 391.44 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide is sourced from PubChem (CID 174324847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).